Geometry & MOs

Info

ID:	125226
PubChem CID:	50915751
Reduced:	N3O6H13C15 (1)
Stoich.:	A3B6C13D15 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	5.96
IP(EA), eV:	-9.41(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzyl-6-methylidene-2-morpholin-4-yl-7H-imidazo[1,2-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=NC=C1)C(=O)OC)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations